1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C15H16N7O+ MolecularWeight: 310.33384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C15H15N7O/c16-4-1-10-11(7-17)13(19)21-15(12(10)8-18)22-5-2-9(3-6-22)14(20)23/h9H,1-3,5-6H2,(H2,19,21)(H2,20,23)/p+1